SCHEMBL1009877

SCHEMBL1009877

CC(C)c1nn(Cc2ccc(C(=O)N3CCCC3)cc2)c2c1CCCC2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.51
CYP2D6 P10635 1/20 0.48
GRIA2 P42262 1/20 0.48
HPGD P15428 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
KCNK3 O14649 2/20 0.43
CHKA P35790 1/20 0.43
CHRNA7 P36544 1/20 0.42
ACACB O00763 1/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
MBTD1 Q05BQ5 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1007634 0.86 PTGER4 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1009726 0.85 HRH3 (0.50) HRH3CYP2D6GRIA2HPGDMEN1
SCHEMBL1007553 0.83 HRH3 (0.48) HRH3CYP2D6GRIA2HPGDMEN1
SCHEMBL1009828 0.83 RAB9A (0.50) HPGDMEN1KMT2AALDH1A1LMNA
SCHEMBL3134055 0.82 GRIA2 (0.69) CYP2D6GRIA2ALDH1A1LMNAMAPT
SCHEMBL1008169 0.80 HPGD (0.47) HRH3CYP2D6GRIA2HPGDMEN1
SCHEMBL1008235 0.80 HRH3 (0.46) HRH3CYP2D6GRIA2HPGDMEN1
SCHEMBL1006577 0.78 GRIA2 (0.52) HRH3CYP2D6GRIA2HPGDMEN1
SCHEMBL20866265 0.76 LMNA (0.44) HPGDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL20866466 0.71 TSHR (0.45) GRIA2ALDH1A1SMN1; SMN2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
WO-2009119088-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 HRH3 254/4885CYP2D6 3476/4885GRIA2 23/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.